SCHEMBL20114540

SCHEMBL20114540

N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 12/20 0.42
ABCB1 P08183 5/20 0.42
CYP1A2 P05177 5/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CLK4 Q9HAZ1 3/20 0.40
LMNA P02545 3/20 0.40
TSHR P16473 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C19 P33261 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP2C9 P11712 1/20 0.40
ABCC1 P33527 2/20 0.38
CYP19A1 P11511 1/20 0.38
MAPK1 P28482 1/20 0.38
TP53 P04637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20114539 0.96 CYP1A2 (0.40) ABCG2ABCB1CYP1A2ALDH1A1CYP3A4
SCHEMBL20114634 0.95 CYP1A2 (0.41) ABCG2ABCB1CYP1A2ALDH1A1CYP3A4
SCHEMBL21741929 0.94 ABCG2 (0.40) ABCG2ABCB1CYP1A2ALDH1A1CYP3A4
SCHEMBL20114544 0.94 ABCG2 (0.40) ABCG2ABCB1CYP1A2ALDH1A1CYP3A4
SCHEMBL24125647 0.93 CYP1A2 (0.40) ABCG2ABCB1CYP1A2ALDH1A1CYP3A4
SCHEMBL20928249 0.93 ABCG2 (0.39) ABCG2ABCB1CYP1A2ALDH1A1CYP3A4
SCHEMBL20114555 0.93 ABCG2 (0.41) ABCG2ABCB1CYP1A2ALDH1A1CYP3A4
SCHEMBL22243171 0.93 CYP1A2 (0.41) ABCG2ABCB1CYP1A2ALDH1A1CYP3A4
SCHEMBL21742002 0.92 CYP1A2 (0.43) ABCG2ABCB1CYP1A2ALDH1A1CYP3A4
SCHEMBL20115131 0.92 CYP1A2 (0.43) ABCG2ABCB1CYP1A2ALDH1A1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-09-24 US disclosed
EP-3315581-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-01-02 EP disclosed
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 US disclosed
EP-3315581-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, EPCAM, F12 ABCG2 2585/4885ABCB1 1061/4885CYP1A2 659/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 ABCG2 2585/4885ABCB1 1061/4885CYP1A2 659/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.